SciML / ModelingToolkit.jl

An acausal modeling framework for automatically parallelized scientific machine learning (SciML) in Julia. A computer algebra system for integrated symbolics for physics-informed machine learning and automated transformations of differential equations
https://mtk.sciml.ai/dev/
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ODE system that solved in 9.32 does error in 9.42 #3096

Closed TS-CUBED closed 5 days ago

TS-CUBED commented 5 days ago

Describe the example

The testcases for CirculatorySystemModels.jl do not run anymore.

Minimal Reproducible Example πŸ‘‡

https://github.com/TS-CUBED/CirculatorySystemModels.jl/blob/main/test/runtests.jl

Error & Stacktrace ⚠️

β”Œ Warning: Independent variable t should be defined with @independent_variables t.
β”” @ ModelingToolkit ~/.julia/packages/ModelingToolkit/5OzIt/src/utils.jl:119
.
.
.
β”Œ Warning: Independent variable t should be defined with @independent_variables t.
β”” @ ModelingToolkit ~/.julia/packages/ModelingToolkit/5OzIt/src/utils.jl:119
β”Œ Warning: Initialization system is overdetermined. 166 equations for 1 unknowns. Initialization will default to using least squares. To suppress this warning pass warn_initialize_determined = false. To make this warning into an error, pass fully_determined = true
β”” @ ModelingToolkit ~/.julia/packages/ModelingToolkit/5OzIt/src/systems/diffeqs/abstractodesystem.jl:1491
β”Œ Warning: Potential Rank Deficient Matrix Detected. Attempting to solve using Pivoted QR Factorization.
β”” @ NonlinearSolve ~/.julia/packages/NonlinearSolve/EVJf5/src/internal/linear_solve.jl:156
.
.
.
β”Œ Warning: Potential Rank Deficient Matrix Detected. Attempting to solve using Pivoted QR Factorization.
β”” @ NonlinearSolve ~/.julia/packages/NonlinearSolve/EVJf5/src/internal/linear_solve.jl:156
 10.488472 seconds (12.86 M allocations: 797.416 MiB, 6.73% gc time, 99.89% compilation time)
Shi Model in V: Test Failed at /home/thor/Projects/CirculatorySystemModels.jl/test/runtests.jl:128
  Expression: SciMLBase.successful_retcode(ShiSimpleSolV)

Stacktrace:
 [1] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:672 [inlined]
 [2] macro expansion
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:128 [inlined]
 [3] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:1577 [inlined]
 [4] top-level scope
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:15
Shi Model in V: Test Failed at /home/thor/Projects/CirculatorySystemModels.jl/test/runtests.jl:129
  Expression: β‰ˆ(sum((ShiSimpleSolV[LV.V] .- ShiBench[!, :LV_V]) ./ ShiBench[!, :LV_V]) / length(ShiSimpleSolV.u), 0, atol = 0.001)
   Evaluated: 438.58538086426535 β‰ˆ 0 (atol=0.001)

Stacktrace:
 [1] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:672 [inlined]
 [2] macro expansion
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:129 [inlined]
 [3] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:1577 [inlined]
 [4] top-level scope
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:15
Shi Model in V: Test Failed at /home/thor/Projects/CirculatorySystemModels.jl/test/runtests.jl:130
  Expression: β‰ˆ(sum((ShiSimpleSolV[RV.V] .- ShiBench[!, :RV_V]) ./ ShiBench[!, :RV_V]) / length(ShiSimpleSolV.u), 0, atol = 0.001)
   Evaluated: 494.32100133672856 β‰ˆ 0 (atol=0.001)

Stacktrace:
 [1] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:672 [inlined]
 [2] macro expansion
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:130 [inlined]
 [3] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:1577 [inlined]
 [4] top-level scope
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:15
Shi Model in V: Test Failed at /home/thor/Projects/CirculatorySystemModels.jl/test/runtests.jl:131
  Expression: β‰ˆ(sum((ShiSimpleSolV[LA.V] .- ShiBench[!, :LA_V]) ./ ShiBench[!, :LA_V]) / length(ShiSimpleSolV.u), 0, atol = 0.001)
   Evaluated: -75.7995211173422 β‰ˆ 0 (atol=0.001)

Stacktrace:
 [1] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:672 [inlined]
 [2] macro expansion
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:131 [inlined]
 [3] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:1577 [inlined]
 [4] top-level scope
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:15
Shi Model in V: Test Failed at /home/thor/Projects/CirculatorySystemModels.jl/test/runtests.jl:132
  Expression: β‰ˆ(sum((ShiSimpleSolV[RA.V] .- ShiBench[!, :RA_V]) ./ ShiBench[!, :RA_V]) / length(ShiSimpleSolV.u), 0, atol = 0.001)
   Evaluated: -71.73558489035456 β‰ˆ 0 (atol=0.001)

Stacktrace:
 [1] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:672 [inlined]
 [2] macro expansion
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:132 [inlined]
 [3] macro expansion
   @ ~/.julia/juliaup/julia-1.10.5+0.x64.linux.gnu/share/julia/stdlib/v1.10/Test/src/Test.jl:1577 [inlined]
 [4] top-level scope
   @ ~/Projects/CirculatorySystemModels.jl/test/runtests.jl:15
Test Summary:  | Fail  Total   Time
Shi Model in V |    5      5  52.0s
ERROR: LoadError: Some tests did not pass: 0 passed, 5 failed, 0 errored, 0 broken.
in expression starting at /home/thor/Projects/CirculatorySystemModels.jl/test/runtests.jl:13

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βŒ… [76b0de8b] TestItemDetection v0.2.0
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βŒƒ [9bd350c2] OpenSSH_jll v8.9.0+1
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βŒ… [dfaa095f] x265_jll v3.5.0+0
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  [4607b0f0] SuiteSparse
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Info Packages marked with βŒƒ and βŒ… have new versions available. Those with βŒƒ may be upgradable, but those with βŒ… are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m`
Julia Version 1.10.5
Commit 6f3fdf7b362 (2024-08-27 14:19 UTC)
Build Info:
  Official https://julialang.org/ release
Platform Info:
  OS: Linux (x86_64-linux-gnu)
  CPU: 8 Γ— Intel(R) Core(TM) i7-4770 CPU @ 3.40GHz
  WORD_SIZE: 64
  LIBM: libopenlibm
  LLVM: libLLVM-15.0.7 (ORCJIT, haswell)
Threads: 1 default, 0 interactive, 1 GC (on 8 virtual cores)

Working Environment (please complete the following information):

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βŒƒ [961ee093] ModelingToolkit v9.26.0
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βŒƒ [24249f21] SymPy v2.1.1
βŒ… [cf896787] SymbolServer v7.4.0
βŒ… [0c5d862f] Symbolics v5.36.0
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  [d6f4376e] Markdown
Info Packages marked with βŒƒ and βŒ… have new versions available. Those with βŒƒ may be upgradable, but those with βŒ… are restricted by compatibility constraints from upgrading. To see why use `status --outdated`
  [47edcb42] ADTypes v1.9.0
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  [8e850ede] nghttp2_jll v1.52.0+1
  [3f19e933] p7zip_jll v17.4.0+2
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Additional context

Add any other context about the problem here.

ChrisRackauckas commented 5 days ago

? There's nothing in here.

TS-CUBED commented 5 days ago

Sorry, hit a return too early, just adding the info

ChrisRackauckas commented 5 days ago

Warning: Initialization system is overdetermined. 166 equations for 1 unknowns.

Fix that?

TS-CUBED commented 5 days ago

Warning: Initialization system is overdetermined. 166 equations for 1 unknowns.

Fix that?

Why would that show up suddenly and cause a problem? The ODEs are created from an acausal network that's created from the same code as before.

TS-CUBED commented 5 days ago

It only showed up with the update to 9.42 on the Github CI run - no changes to the system at all

SebastianM-C commented 5 days ago

MTK@9.42 checks that that the observed equations are also satisfied during initialization, so you might have had something working, but it was not satisfying all the constraints in the model. See https://docs.sciml.ai/ModelingToolkit/dev/tutorials/initialization/ for more details on how to investigate this.

TS-CUBED commented 5 days ago

MTK@9.42 checks that that the observed equations are also satisfied during initialization, so you might have had something working, but it was not satisfying all the constraints in the model. See https://docs.sciml.ai/ModelingToolkit/dev/tutorials/initialization/ for more details on how to investigate this.

Thanks, that explains the warning. But why does the solver break and give a completely different result? Would that not be considered a breaking change?

SebastianM-C commented 5 days ago

The solver can't start since it can't solve the initialization problem to get the u0. This is correcting wrong behavior, so I think it's considered a bugfix.

TS-CUBED commented 5 days ago

The solver can't start since it can't solve the initialization problem to get the u0. This is correcting wrong behavior, so I think it's considered a bugfix.

Edit: removed statement that the solver does run. I does not, it simply gives a solution that consists of the wrong initial conditions. So all's good there.

ChrisRackauckas commented 5 days ago

If you had the tutorial example:

@mtkmodel FOL begin
    @parameters begin
        Ο„ = 3.0 # parameters and their values
    end
    @variables begin
        x(t) = 0.0 # dependent variables and their initial conditions
        RHS(t)
    end
    @equations begin
        RHS ~ (1 - x) / Ο„
        D(x) ~ RHS
    end
end
prob = ODEProblem(fol, [], (0.0, 10.0), [])

but then changed it to:

prob = ODEProblem(fol, [RHS => 300000.0], (0.0, 10.0), [])

it would have worked. This is because x is the chosen state and RHS was removed, and it did not check the removed values. This was a bug in the initialization system and let to somewhat obtuse results where changing what states are chosen could change the simulation result. It's also against our policy, which is that all initial equations are supposed to be respected. Instead, since it's impossible that x = 0 and RHS = 300000.0, that's an invalid initialization and it should error.

With the recent change we now check this better, and correctly error here.

Now in your case, you can see from the warning that you have a ton of extra equations. Most likely you have a ton of extra initial conditions that are not correct. You should really try to understand which initial conditions are required in your system, and which are computed. If they are computed, you should consider using a guess instead of specifying equality.

TS-CUBED commented 5 days ago

Ok, I think I understand now what causes the problem. I have quite a few "fallback" initial conditions which were needed at some point because I did not know which equations MTK would give me - and observed weren't usable as initial conditions when I started development. These were not calculated exactly, but just "good enough guesses". But since they are all in the component definitions and the initialisation dict this is now causing problems.

Is that it?

So what do I do?

TS-CUBED commented 5 days ago

Yep, that works. All validation tests passed again.

Thanks a lot for the help.